5-Acetylsalicylamide
TL;DR: 5-Acetylsalicylamide (CAS 40187-51-7) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-hydroxybenzamide
Also Known As: 5-Acetylsalicylamide, 5-Acetyl-2-hydroxybenzamide, Benzamide, 5-acetyl-2-hydroxy-, 5-Acetyl salicylamide, 5-Acetyl-2-hydroxy-benzamide
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 40187-51-7 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)O)C(=O)N |
| InChIKey | LWAQTCWTCCNHJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Acetylsalicylamide (CAS 40187-51-7), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: 5-acetyl-2-hydroxybenzamide.
Chemical Property Profile of 5-Acetylsalicylamide
Property Insights of 5-Acetylsalicylamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetylsalicylamide. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetylsalicylamide. Following Lipinski's Rule of Five, 5-Acetylsalicylamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Acetylsalicylamide?
The CAS number of 5-Acetylsalicylamide is 40187-51-7.
What is the molecular formula of 5-Acetylsalicylamide?
The molecular formula of 5-Acetylsalicylamide is C9H9NO3.
What is the molecular weight of 5-Acetylsalicylamide?
The molecular weight of 5-Acetylsalicylamide is 179.06 g/mol.
Where can I buy 5-Acetylsalicylamide?
You can request a quote for 5-Acetylsalicylamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetylsalicylamide?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetylsalicylamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.